@meschw04 - We'd like to add an example notebook for calculating bandgaps using the method described in your paper. Ideally this would be written so that the core methods are in a new lib/* module (or set of modules) and the notebook would provide some demonstration and examples, perhaps using the same material systems we used for the paper.
@meschw04 - We'd like to add an example notebook for calculating bandgaps using the method described in your paper. Ideally this would be written so that the core methods are in a new lib/* module (or set of modules) and the notebook would provide some demonstration and examples, perhaps using the same material systems we used for the paper.